› 3imr

X-ray diffraction
1.7Å resolution

Transthyretin in complex with (E)-2,6-dibromo-4-(2,6-dichlorostyryl)phenol

Released:
DOI: 10.2210/pdb3imr/pdb
PDB entry 3imr coloured by chain, front view.
PDB entry 3imr coloured by chain, side view.
PDB entry 3imr coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
A substructure combination strategy to create potent and selective transthyretin kinetic stabilizers that prevent amyloidogenesis and cytotoxicity.
Choi S, Reixach N, Connelly S, Johnson SM, Wilson IA, Kelly JW
J Am Chem Soc 132 1359-70 (2010)
PMID: 20043671

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-136168 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Transthyretin Chains: A, B
Molecule details ›
Chains: A, B
Length: 127 amino acids
Theoretical weight: 13.78 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P02766 (Residues: 21-147; Coverage: 100%)
Gene names: PALB, TTR
Sequence domains: HIUase/Transthyretin family
Structure domains: Transthyretin/hydroxyisourate hydrolase domain

Ligands and Environments

1 bound ligand:
Ligand IW1 2 x IW1
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL9-2
Spacegroup: P21212
Unit cell:
a: 42.927Å b: 85.002Å c: 64.506Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.172 0.169 0.217
Expression system: Escherichia coli

Quick links

Citations

11 review citations

Boron in drug discovery: carboranes as unique pharmacophores in biologically active compounds.
Issa et al. (2011)
10 more

1 mention without citation

A substructure combination strategy to create potent and selective transthyretin kinetic stabilizers that prevent amyloidogenesis and cytotoxicity.
Choi et al. (2010)